Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 3/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.32 |
| ▸ | BAD | Q92934 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4695076 | 1.00 | PARP1 (0.38) | PARP1TRPA1KDM4EALDH1A1MAPT | |
| Acetonitrile SCHEMBL28877477 | 0.95 | PARP1 (0.35) | PARP1TRPA1KDM4EALDH1A1MAPT | |
| SCHEMBL3188143 | 0.89 | PARP1 (0.47) | PARP1TRPA1KDM4EALDH1A1PNMT | |
| SCHEMBL97779 | 0.82 | PARP1 (0.41) | PARP1HTR1ATSHR | |
| SCHEMBL12679738 | 0.78 | PDCD1 (0.36) | PARP1HTR1A | |
| SCHEMBL9059516 | 0.77 | ITGB2 (0.39) | ALDH1A1MAPTHPGDNPSR1TSHR | |
| SCHEMBL14070915 | 0.77 | HTR2A (0.33) | KDM4EALDH1A1MAPTHPGDNPSR1 | |
| SCHEMBL4847695 | 0.77 | CREBBP (0.39) | PARP1KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL31111348 | 0.75 | PNMT (0.43) | PNMT | |
| SCHEMBL13765600 | 0.75 | PNMT (0.43) | PNMT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116621859-A | Tri-fused ring KAT6 inhibitors | 山东轩竹医药科技有限公司 | 2023-08-22 | — | — | CN | disclosed |
| CN-110240586-B | 2,3-dihydro-1H-benzo [ f ] chroman-2-amine derivatives and their preparation | 山东百极地长制药有限公司 | 2023-01-24 | — | — | CN | disclosed |